2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole

C13H23ClN2O — CID 65448728

IUPAC2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole
SMILESCCCCCCCCCc1nnc(CCCl)o1
InChIInChI=1S/C13H23ClN2O/c1-2-3-4-5-6-7-8-9-12-15-16-13(17-12)10-11-14/h2-11H2,1H3
InChIKeyVMJUFVUOHMUGCQ-UHFFFAOYSA-N
MW258.79 g/mol
LogP4.14
Rot. Bonds10

About 2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole

2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole (PubChem CID 65448728) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole
PubChem CID65448728
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC Name2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole
SMILESCCCCCCCCCc1nnc(CCCl)o1
InChIInChI=1S/C13H23ClN2O/c1-2-3-4-5-6-7-8-9-12-15-16-13(17-12)10-11-14/h2-11H2,1H3
InChIKeyVMJUFVUOHMUGCQ-UHFFFAOYSA-N
XLogP4.14
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole
CID 43513170
2-chloro-5-heptyl-1,3,4-oxadiazole
CID 114770895
(5-octyl-1,3,4-oxadiazol-2-yl)methanamine
CID 65428930
2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 65426417
2-(3-bromopropyl)-5-tridecyl-1,3,4-oxadiazole
CID 86073528
2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
CID 62162723
N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62137386
2-(1-chloroethyl)-5-octyl-1,3,4-oxadiazole
CID 65448540
N-[(5-nonyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 65427375
2-(2-chloroethyl)-5-heptan-3-yl-1,3,4-oxadiazole
CID 43513193
3-(5-pentyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138927
2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole
CID 54852620

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole (CID 65448728) is 2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole is CCCCCCCCCc1nnc(CCCl)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole?
The InChIKey is VMJUFVUOHMUGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN2O/c1-2-3-4-5-6-7-8-9-12-15-16-13(17-12)10-11-14/h2-11H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole has a molecular weight of 258.79 g/mol, XLogP of 4.14, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole is sourced from PubChem (CID 65448728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).